Publications by V. K. Prasad

S. Prakash, N. Patel, H.-A. Jacobsen and V. K. Prasad, A user-tunable machine learning framework for step-wise synthesis planning, Digital Discovery 5: 2669 - 2683, 19 May 2026.

G. M. Jones, V. K. Prasad, U. Fekl and H.-A. Jacobsen, Parametrized quantum circuit learning for quantum chemical applications, Journal of Chemical Information and Modeling 66(6): 3103 - 3116, 11 March 2026.

M. Naseri, M. P. Lourenço, V. K. Prasad, R. Shukla, Y. Naseri, G. S. Diaz, D. Gaur, S. Gusarov and D. R. Salahub, ABO₃ materials clustering with quantum swap-test algorithm, Computational Materials Science 259(11): 114178 (10 pp.), 1 September 2025.

I. E. Park, S. Y. Kim, L. E. Dickson, P.-M.-H. Tse, V. K. Prasad, B. Schmaltz, B. H. Lessard, N. Y. Doumon and G. C. Welch, New p-azaquinodimethane core based narrow-gap non-ring fused organic acceptor, Materials Chemistry Frontiers 9(18): 2722 - 2729, 2 July 2025.

C. M. Macarios, J. Pittner, V. K. Prasad and U. Fekl, Heteroatom-vacancy centres in molecular nanodiamonds: a computational study of organic molecules possessing triplet ground states through σ-overlap, Physical Chemistry Chemical Physics 26: 25412 - 25417, 18 September 2024.

T. Yoshii, G. Nishikawa, V. K. Prasad, S. Shimizu, R. Kawaguchi, R. Tang, K. Childa, N. Sato, R. Sakamoto, K. Takatani, D. Moreno-Rodríguez, P. Škorňa, E. Scholtzová, R. K. Szilagyi and H. Nishihara, Quantitative and qualitative analysis of nitrogen species in carbon at the ppm level, Chem 10(8): 2450 - 2463, 8 August 2024.